SCHEMBL21052202

SCHEMBL21052202

Cc1ccc(-c2cc(F)ccc2NC(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TOP2A P11388 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 3/20 0.38
DYRK1A Q13627 2/20 0.37
PDPK1 O15530 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HDAC3 O15379 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21052182 0.78 MAPT (0.39) TP53NPC1RAB9AGAAHTT
SCHEMBL21052234 0.77 ABL1 (0.39) TP53NPC1RAB9AHTTCYP2C19
SCHEMBL21052209 0.77 RAB9A (0.48) TP53NPC1RAB9AGAAHTT
SCHEMBL21052219 0.75 CHRM3 (0.39) HTTCNR1SMN1; SMN2MAPT
SCHEMBL16438520 0.74 CHRM3 (0.50) MAPTHDAC1
SCHEMBL25078679 0.74 NISCH (0.44) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL14817183 0.74 NPC1 (0.39) NPC1RAB9AGAACNR1ALDH1A1
SCHEMBL16438563 0.74 CHRM3 (0.53) HTTMAPT
SCHEMBL16438507 0.73 CHRM3 (0.49) NPC1RAB9AHTTALDH1A1CYP2C19
SCHEMBL3906763 0.73 MAPT (0.56) TP53NPC1RAB9AHTTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720852-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-14 EP claimed
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US claimed
WO-2019110521-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-06-13 WO claimed
EP-3720852-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-14 EP disclosed
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US disclosed
WO-2019110521-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-06-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 CHRM2, CHRM3, CHRM5 TP53 1551/4885NPC1 4519/4885RAB9A 3359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.